Pressure-induced polymorphism in cyclopropylamine

被引:21
作者
Lozano-Casal, P [1 ]
Allan, DR [1 ]
Parsons, S [1 ]
机构
[1] Univ Edinburgh, Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland
关键词
D O I
10.1107/S0108768105026327
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The crystal structure of cyclopropylamine at 1.2 GPa has been determined by X-ray diffraction methods. The structure of this phase is orthorhombic, space group Pbca and the unit-cell dimensions are a = 5.0741 (10), b = 9.7594 (10) and c = 13.305 (2) angstrom. Only one of the two H atoms of the amino group actively participates in the formation of the hydrogen-bonded chains, C(2) in graph-set notation, which lie parallel to the crystallographic a axis. Additionally, the topology of the crystal packing is studied using both Voronoi-Dirichlet polyhedra and Hirshfeld surface analyses for the low-temperature and the high-pressure structures of cyclopropylamine and the results are compared.
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收藏
页码:717 / 723
页数:7
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